3652-0032 Screening compound: 1-(4-chlorobenzenesulfonyl)-2,2,4,6,8-pentamethyl-1,2-dihydroquinoline

3652-0032 Screening compound: 1-(4-chlorobenzenesulfonyl)-2,2,4,6,8-pentamethyl-1,2-dihydroquinoline
3652-0032 Screening compound: 1-(4-chlorobenzenesulfonyl)-2,2,4,6,8-pentamethyl-1,2-dihydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3652-0032
1-(4-chlorobenzenesulfonyl)-2,2,4,6,8-pentamethyl-1,2-dihydroquinoline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3652-0032

Molecular Formula

C20H22ClNO2S (C20 H22 ClNO2 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-2,2,4,6,8-pentamethyl-1,2-dihydroquinoline

IUPAC name

1-(4-chlorobenzenesulfonyl)-22468-pentamethyl-12-dihydroquinoline

SMILES

CC(C)(C=C(C)c1c2c(C)cc(C)c1)N2S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C20H22ClNO2S/c1-13-10-14(2)19-18(11-13)15(3)12-20(4,5)22(19)25(23,24)17-8-6-16(21)7-9-17/h6-12H,1-5H3

InChI Key

HEWUSCDZKTXGMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

6.289

Water Solubility, LogSw

-6.37

Polar Surface Area

32.098

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-11.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3652-0032 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Neuropeptide S Library (2850 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Nervous system
Agro:
  • Agro
  • Agro
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3652-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0032?
Check Price and Availability of 3652-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3652-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0032
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3652-0032 available by request